write_structural_prior_CV, Python argument types in ExplicitBitVect.FromBase64(ExplicitBitVect, int) did not match C++ signature

[GuptaVishu2002]

I have encountered a new error in write_structural_prior_CV (log is at /Genomics/argo/users/vg8892/CLM/workflow/.snakemake/slurm_logs/rule_write_structural_prior_CV/8645053.log):

(INFO) (write_structural_prior_CV.py) (15-May-25 16:14:01) Generated statistics for model model
(INFO) (write_structural_prior_CV.py) (15-May-25 16:14:03) Generating statistics for model PubChem

  0%|          | 0/4343 [00:00<?, ?it/s]
  0%|          | 1/4343 [00:10<13:15:32, 10.99s/it]
Traceback (most recent call last):
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/bin/clm", line 8, in <module>
    sys.exit(main())
  File "/Genomics/argo/users/vg8892/CLM/src/clm/__main__.py", line 81, in main
    args.func(args)
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 291, in main
    write_structural_prior_CV(
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 259, in write_structural_prior_CV
    results = test.progress_apply(
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/tqdm/std.py", line 917, in inner
    return getattr(df, df_function)(wrapper, **kwargs)
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/pandas/core/frame.py", line 10374, in apply
    return op.apply().__finalize__(self, method="apply")
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/pandas/core/apply.py", line 916, in apply
    return self.apply_standard()
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/pandas/core/apply.py", line 1063, in apply_standard
    results, res_index = self.apply_series_generator()
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/pandas/core/apply.py", line 1081, in apply_series_generator
    results[i] = self.func(v, *self.args, **self.kwargs)
  File "/Genomics/argo/users/vg8892/miniforge3/envs/clm/lib/python3.10/site-packages/tqdm/std.py", line 912, in wrapper
    return func(*args, **kwargs)
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 260, in <lambda>
    lambda x: match_molecules(x, dataset, datatype, top_n=top_n), axis=1
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 145, in match_molecules
    target_fps = [get_fp_obj(fp) for fp in tc["target_fingerprint"]]
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 145, in <listcomp>
    target_fps = [get_fp_obj(fp) for fp in tc["target_fingerprint"]]
  File "/Genomics/argo/users/vg8892/CLM/src/clm/commands/write_structural_prior_CV.py", line 79, in get_fp_obj
    fp.FromBase64(fp_string)
Boost.Python.ArgumentError: Python argument types in
    ExplicitBitVect.FromBase64(ExplicitBitVect, int)
did not match C++ signature:
    FromBase64(ExplicitBitVect {lvalue} self, std::string inD)
[Thu May 15 16:14:21 2025]
Error in rule write_structural_prior_CV:
    jobid: 0
    input: data/0/prior/inputs/train0_spectraverse_SMILES_5.smi, data/0/prior/inputs/test0_spectraverse_SMILES_5.smi, /Genomics/argo/users/vg8892/CLM/data/pubchem.tsv, data/0/prior/samples/spectraverse_SMILES_5_unique_masses.csv.gz, data/0/prior/inputs/train0_spectraverse_SMILES_5_carbon.csv.gz
    output: data/0/prior/structural_prior/spectraverse_SMILES_5_CV_ranks_structure.csv.gz, data/0/prior/structural_prior/spectraverse_SMILES_5_CV_tc.csv.gz
    shell:
        clm write_structural_prior_CV --ranks_file data/0/prior/structural_prior/spectraverse_SMILES_5_CV_ranks_structure.csv.gz --tc_file data/0/prior/structural_prior/spectraverse_SMILES_5_CV_tc.csv.gz --train_file data/0/prior/inputs/train0_spectraverse_SMILES_5.smi --test_file data/0/prior/inputs/test0_spectraverse_SMILES_5.smi --pubchem_file /Genomics/argo/users/vg8892/CLM/data/pubchem.tsv --sample_file data/0/prior/samples/spectraverse_SMILES_5_unique_masses.csv.gz --err_ppm 10 --seed 5831 --carbon_file data/0/prior/inputs/train0_spectraverse_SMILES_5_carbon.csv.gz --top_n 30 
        (one of the commands exited with non-zero exit code; note that snakemake uses bash strict mode!)

Shutting down, this might take some time.
Exiting because a job execution failed. Look above for error message
srun: error: argo-41: task 0: Exited with exit code 1
srun: launch/slurm: _step_signal: Terminating StepId=8645053.0
[Thu May 15 16:14:21 2025]
Error in rule write_structural_prior_CV:
    jobid: 0
    input: data/0/prior/inputs/train0_spectraverse_SMILES_5.smi, data/0/prior/inputs/test0_spectraverse_SMILES_5.smi, /Genomics/argo/users/vg8892/CLM/data/pubchem.tsv, data/0/prior/samples/spectraverse_SMILES_5_unique_masses.csv.gz, data/0/prior/inputs/train0_spectraverse_SMILES_5_carbon.csv.gz
    output: data/0/prior/structural_prior/spectraverse_SMILES_5_CV_ranks_structure.csv.gz, data/0/prior/structural_prior/spectraverse_SMILES_5_CV_tc.csv.gz
    shell:
        clm write_structural_prior_CV --ranks_file data/0/prior/structural_prior/spectraverse_SMILES_5_CV_ranks_structure.csv.gz --tc_file data/0/prior/structural_prior/spectraverse_SMILES_5_CV_tc.csv.gz --train_file data/0/prior/inputs/train0_spectraverse_SMILES_5.smi --test_file data/0/prior/inputs/test0_spectraverse_SMILES_5.smi --pubchem_file /Genomics/argo/users/vg8892/CLM/data/pubchem.tsv --sample_file data/0/prior/samples/spectraverse_SMILES_5_unique_masses.csv.gz --err_ppm 10 --seed 5831 --carbon_file data/0/prior/inputs/train0_spectraverse_SMILES_5_carbon.csv.gz --top_n 30 
        (one of the commands exited with non-zero exit code; note that snakemake uses bash strict mode!)

Shutting down, this might take some time.
Exiting because a job execution failed. Look above for error message